SCHEMBL30103033

SCHEMBL30103033

COc1cc(F)cc(-c2ncc(Cn3ncc4cc(F)cc(C(=O)O)c43)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 2/20 0.41
LDHA P00338 1/20 0.37
GRK6 P43250 1/20 0.37
ROCK2 O75116 2/20 0.36
PTPN1 P18031 2/20 0.36
DHODH Q02127 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
P2RX7 Q99572 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
MET P08581 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24785460 1.00 ALKBH1 (0.41) ALKBH1LDHAGRK6ROCK2PTPN1
SCHEMBL24784619 0.93 P2RX7 (0.38) ALKBH1LDHAGRK6ROCK2PTPN1
SCHEMBL30103035 0.93 P2RX7 (0.38) ALKBH1LDHAGRK6ROCK2PTPN1
SCHEMBL30103069 0.91 ALKBH1 (0.36) ALKBH1LDHAGRK6ROCK2DHODH
SCHEMBL24785463 0.91 ALKBH1 (0.36) ALKBH1LDHAGRK6ROCK2DHODH
SCHEMBL24784635 0.91 ALKBH1 (0.36) ALKBH1LDHAGRK6ROCK2PTPN1
SCHEMBL30103142 0.91 ALKBH1 (0.36) ALKBH1LDHAGRK6ROCK2PTPN1
SCHEMBL30017666 0.86 ALKBH1 (0.36) ALKBH1GRK6ROCK2DHODHGRIN1
SCHEMBL24784629 0.86 ALKBH1 (0.36) ALKBH1GRK6ROCK2DHODHGRIN1
SCHEMBL24784628 0.85 ALKBH1 (0.34) ALKBH1GRK6ROCK2DHODHGRIN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed